Sugi Predict

Sugi Predict / Compounds / SCHEMBL5010332

SCHEMBL5010332

SCHEMBL5010332

N#Cc1c[nH]c2ccccc2c1=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 2/20 0.72
▸ IMPDH1 P20839 1/20 0.72
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ PRKD3 O94806 1/20 0.47
▸ CCNB2 O95067 1/20 0.47
▸ CCNE2 O96020 1/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ PRKCG P05129 1/20 0.47
▸ PRKCB P05771 1/20 0.47
▸ CDK1 P06493 1/20 0.47
▸ PIM1 P11309 1/20 0.47
▸ CDK4 P11802 1/20 0.47
▸ CCNB1 P14635 1/20 0.47
▸ PRKCA P17252 1/20 0.47
▸ PRKACA P17612 1/20 0.47
▸ PRKACG P22612 1/20 0.47
▸ PRKACB P22694 1/20 0.47
▸ CCND1 P24385 1/20 0.47
▸ PRKCH P24723 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29820843 0.84 IMPDH2 (1.00) IMPDH2IMPDH1PRKD3CCNB2CCNE2
SCHEMBL186741 0.84 IMPDH2 (1.00) IMPDH2IMPDH1PRKD3CCNB2CCNE2
Hydrochloric Acid SCHEMBL7697252 0.82 IMPDH2 (0.96) IMPDH2IMPDH1PRKD3CCNB2CCNE2
Hydrochloric Acid SCHEMBL7431978 0.82 IMPDH2 (0.96) IMPDH2IMPDH1PRKD3CCNB2CCNE2
SCHEMBL28328494 0.82 IMPDH2 (0.96) IMPDH2IMPDH1PRKD3CCNB2CCNE2
SCHEMBL4992479 0.80 CCNT1 (0.52) IMPDH2IMPDH1CA1CA2KDM4E
SCHEMBL5322018 0.76 IMPDH2 (0.46) IMPDH2IMPDH1KDM4EALDH1A1LMNA
SCHEMBL5254794 0.76 CA1 (0.57) IMPDH2IMPDH1CA1CA2KDM4E
SCHEMBL3882080 0.76 IMPDH2 (0.46) IMPDH2IMPDH1DYRK1A
SCHEMBL10085581 0.76 HSD17B10 (0.55) IMPDH2IMPDH1KDM4EALDH1A1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1499594-B1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED-3-QUINOLINE AND 3-QUINOL-4-ONE CARBONITRILES WYETH CORP (US) 2005-08-17 — — EP claimed
US-10000452-B1 Quinolone-based compounds, formulations, and uses thereof UNIVERSITY OF SOUTH FLORIDA (US) 2018-06-19 — — US disclosed
US-7767671-B2 3-Quinolinecarbonitrile protein kinase inhibitors WYETH (US) 2010-08-03 — — US disclosed
US-7501516-B2 Quinoline derivatives and their use as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2009-03-10 — — US disclosed
US-20090062281-A1 3-QUINOLINECARBONITRILE PROTEIN KINASE INHIBITORS WYETH (US) 2009-03-05 — — US disclosed
US-7449460-B2 3-Quinolinecarbonitrile protein kinase inhibitors WYETH (US) 2008-11-11 — — US disclosed
US-20080161575-A1 Process for the synthesis of 6-amino-4-(3-chloro-4-fluorophenylamino)-7-ethoxyquinoline-3-carbonitrile WYETH (US) 2008-07-03 — — US disclosed
US-7365203-B2 Process for the synthesis of 6-amino-4-(3-chloro-4-fluoro-phenylamino)-7-ethoxy-quinoline-3-carbonitrile WYETH (US) 2008-04-29 — — US disclosed
CN-100369919-C Tricyclic protein kinase inhibitors WYETH CORP (US) 2008-02-20 — — CN disclosed
US-20070287699-A1 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-12-13 — — US disclosed
US-6288082-B1 COMPOUNDS SUCH AS 6,7-DIETHOXY-4-(INDAN-5-YLAMINO) -QUINOLINE-3-CARBONITRILE USED AS ANTINEOPLASTIC AGENTS AND IN THE TREATMENT OF POLYCYCSTIC KIDNEY DISEASE AMERICAN CYANAMID COMPANY 2001-09-11 — — US disclosed
EP-1117659-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS American Cyanamid Company (US) 2001-07-25 — — EP disclosed
WO-2001047892-A1 TRICYCLIC PROTEIN KINASE INHIBITORS WYETH (US) 2001-07-05 — — WO disclosed
WO-2000018761-A1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-04-06 — — WO disclosed
EP-0973746-A1 SUBSTITUTED 3-CYANO QUINOLINES American Cyanamid Company (US) 2000-01-26 — — EP disclosed
US-6002008-A Substituted 3-cyano quinolines AMERICAN CYANAMID COMPANY 1999-12-14 — — US disclosed
WO-1998043960-A1 SUBSTITUTED 3-CYANO QUINOLINES AMERICAN CYANAMID COMPANY (US) 1998-10-08 — — WO disclosed
EP-0055068-B1 QUINOLONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS Lilly Industries Limited (GB) 1984-10-17 — — EP disclosed
US-4390541-A ANTIALLERGENS; ANTISPASMODIC AGENTS LILLY INDUSTRIES LIMITED (GB) 1983-06-28 — — US disclosed
EP-0055068-A1 Quinolone derivatives and their use as pharmaceuticals Lilly Industries Limited (GB) 1982-06-30 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080161575-A1 Process for the synthesis of 6-amino-4-(3-chloro-4-fluorophenylamino)-7-ethoxyquinoline-3-carbonitrile QPCT, CYP3A4, CPNE4 IMPDH2 826/4885IMPDH1 890/4885CA1 2560/4885
US-10000452-B1 Quinolone-based compounds, formulations, and uses thereof RECQL, NQO1, NQO2 IMPDH2 781/4885IMPDH1 796/4885CA1 4827/4885
US-20090062281-A1 3-QUINOLINECARBONITRILE PROTEIN KINASE INHIBITORS RAF1, KRAS, NRAS IMPDH2 4663/4885IMPDH1 4287/4885CA1 2143/4885
US-20070287699-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 IMPDH2 122/4885IMPDH1 70/4885CA1 4873/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.